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相关概念视频

High-Resolution Mass Spectrometry (HRMS)01:15

High-Resolution Mass Spectrometry (HRMS)

1.2K
The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For...
1.2K
Mass Spectrum: Interpretation01:24

Mass Spectrum: Interpretation

1.1K
An unknown compound can be established by identifying the molecular ion peak in the mass spectrum. The molecular ion peak is often weak or absent due to the predominance of fragmentation in high-energy electron beams. In such cases, a low-energy electron beam can be used to scan the spectrum to enhance the intensity of the molecular ion peak. Additionally, chemical ionization, field ionization, and desorption ionization spectra are used to obtain a relatively intense molecular ion peak.
To...
1.1K
Mass Analyzers: Overview01:13

Mass Analyzers: Overview

567
The mass analyzer is a crucial component of the mass spectrometer. In the ionization chamber, the vaporized sample is bombarded with a high-energy electron beam to generate a radical cation and further fragment into neutral molecules, radicals, and cations. A series of negatively charged accelerator plates accelerate the cations into the mass analyzer. The mass analyzer separates ions according to their mass-to-charge (m/z) ratios and then directs them to the detector. The common types of mass...
567
2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)

620
Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
620
Mass Spectrometers01:16

Mass Spectrometers

5.1K
This lesson details the instrumentation of a mass spectrometer—a physical instrument to perform mass spectrometry on analyte molecules and record the characteristic mass spectra. This is achieved via three chief functions:
5.1K
Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

696
Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
696

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相关实验视频

Updated: May 27, 2025

Analyzing Large Protein Complexes by Structural Mass Spectrometry
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Analyzing Large Protein Complexes by Structural Mass Spectrometry

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HRMS-Viewer:用于高分辨率质谱公式分配和数据可视化的软件.

Junyang Chen1, Chen He1, Jianxun Wu1

  • 1State Key Laboratory of Heavy Oil Processing, Petroleum Molecular Engineering Center (PMEC), China University of Petroleum, Beijing 102249, PR China.

Journal of the American Society for Mass Spectrometry
|February 19, 2025
PubMed
概括

对超高分辨率质谱测量 (URMS) 数据进行准确的公式分配是具有挑战性的. HRMS-Viewer软件简化了这一过程,用于石油和天然有机物分析.

关键词:
数据可视化数据可视化公式赋值公式的分配方式高分辨率的质谱学高分辨率质谱学

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Combining Chemical Cross-linking and Mass Spectrometry of Intact Protein Complexes to Study the Architecture of Multi-subunit Protein Assemblies
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Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
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相关实验视频

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Combining Chemical Cross-linking and Mass Spectrometry of Intact Protein Complexes to Study the Architecture of Multi-subunit Protein Assemblies
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Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
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科学领域:

  • 分析化学 分析化学
  • 地质化学 地质化学
  • 有机化学 有机化学

背景情况:

  • 超高分辨率质谱 (URMS) 产生了庞大的数据集,对精确的元素公式分配提出了挑战.
  • 复杂的混合物,如石油和天然有机物 (NOM),由于不同的分子组成,存在独特的困难.
  • 目前,URMS中缺乏用于质量校准和公式赋值的通用方法.

研究的目的:

  • 开发一个用户友好的软件工具,HRMS-Viewer,用于处理URMS数据.
  • 为了促进石油和NOM的高效和准确的小分子公式分配.
  • 为关键数据处理步骤提供可视化和手动控制.

主要方法:

  • 开发了一个基于Python的软件工具HRMS-Viewer.
  • 实施了一种以经验为导向的方法来分配小分子公式.
  • 集成功能用于降低噪音,重新校准,峰值识别和数据审查.

主要成果:

  • HRMS-Viewer为URMS数据分析提供了简化的工作流.
  • 该软件允许对复杂的有机混合物进行高效和直观的配方分配.
  • 实时可视化和手动校正选项可以提高数据的准确性.

结论:

  • HRMS-Viewer为URMS数据处理挑战提供了一个强大的解决方案.
  • 该工具有助于研究人员准确地描述石油和NOM.
  • 它提高了质谱学元素公式分配的可靠性和效率.